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References

  • 1
    Claas ECJ, Osterhaus ADME, Beek RV, Jong JCD, Rimmelzwaan GF, Senne DA, Krauss S, Shortridge KF, Webster RG ( 1998) Human influenza AH5N1 virus related to a highly pathogenic avian influenza virus. Lancet 351: 472477.
  • 2
    Webster RG, Govorkova EA ( 2006) H5N1 influenza-continuing evolution and spread. N Engl J Med 355: 21742177.
  • 3
    Hayden FG ( 1997) Antivirals for pandemic influenza. J Infect Dis 176 ( Suppl. 1): S56S61.
  • 4
    McKimm-Breschkin J, Trivedi T, Hampson A, Hay A, Klimov A, Tashiro M, Hayden F, Zambon M ( 2003) Neuraminidase sequence analysis and susceptibilities of influenza virus clinical isolates to zanamivir and oseltamivir. Antimicrob Agents Chemother 47: 22642272.
  • 5
    Kiso M, Miltamura K, Sakai-Tagawa Y, Shiraishi K, Kawakami C, Kimura K, Hayden FG, Sugaya M, Kawaoka Y ( 2004) Resistant influenza A viruses in children treated with oseltamivir: descriptive study. Lancet 364: 759765.
  • 6
    deJong MD, Thanh TT, Khanh TH, Hien VM, Smith GJD, Chau NV, Cam BV, Qui PT, Ha DQ, Guan Y, Peris JSM, Hien TT, Farrar J ( 2005) Oseltamivir resistance during treatment of influenza A (H5N1) infection. N Engl J Med 353: 26672672.
  • 7
    Moscona A ( 2005) Oseltamivir resistance-disabling our influenza defenses. N Engl J Med 353: 26332636.
  • 8
    Le QM, Kiso M, Someya K, Sakai YT, Nguyen TH, Nguyen KH, Pham ND, Ngyen HH, Yamada S, Mutamoto Y, Horimoto T, Takada A, Goto H, Suzuki T, Suzuki Y, Kawaoka Y ( 2005) Avian flu: isolation of drug-resistant H5N1 virus. Nature 437: 1108.
  • 9
    Normile, Enserink ( 2007).
  • 10
    Saad MD, Boynton BR, Earhart KC, Mansour MM, Niman HL, Elsayed NM, Nayel AL, Abdgelghani AS, Essmat HM, Labib EM, Ayoub EA, Monteville MR ( 2007) Detection of oseltamivir resistance mutation N294S in humans with influenza A H5N1. Options for the Control of Influenza VI, Toronto, Canada.
  • 11
    Yen H-l, Ilyushina NA, Salomon R, Hoffmann E, Webster RG, Govorkova EA ( 2007) Neuraminidase inhibitor-resistant recombinant A/Vietnam/1203/04 (H5N1) influenza viruses retain their replication efficiency and pathogenicity in vitro and in vivo. J Virol 81: 1241812426.
  • 12
    Wang W, Donini O, Reyes CM, Kollman PA ( 2001) Biomolecular simulatios: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions. Annu Rev Biophys Biomol Struct 30: 211243.
  • 13
    Massova I, Kollman PA ( 1999). Computational alanine scanning to probe protein-protein interactions: a novel approach to evaluate binding free energies. J Am Chem Soc 121: 81338143.
  • 14
    Gouda H, Kuntz ID, Case DA, Kollman PA ( 2003) Free energy calculations for theophylline binding to an RNA aptamer: comparison of MM_PBSA and thermodynamics integration methods. Biopolymers 68: 1634.
  • 15
    Spackova N, Cheatham TEI, Ryjacek F, Lankas F, van Meervelt L, Hobza P, Sponer J ( 2003) Molecular dynamics simulations and thermodynamics analysis of DNA-drug complexes. Minor groove binding between 4′,6-diamidino-2-phenylindole and DNA duplexes in solution. J Am Chem Soc 125: 17591769.
  • 16
    Stoica I, Sadiq SK, Coveney PV ( 2008) Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases. J Am Chem Soc 130: 26392648.
  • 17
    Masukawa KM, Kollman PA, Kuntz ID ( 2003) Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations. J Med Chem 46: 56285637.
  • 18
    Bonnet P, Bryce RA ( 2004) Molecular dynamics and free energy analysis of neuraminidase-ligand interactions. Protein Sci 13: 946957.
  • 19
    Bright RA, Medina MJ, Xu X, Perez-Oronoz G, Wallis TR, Davis XM, Povinelli L, Cox NJ, Klimov AI ( 2005) Incidence of adamantane resistance among influenza A (H3N2) viruses isolated worldwide from 1994 to 2005: a case for concern. Lancet 366: 11751181.
  • 20
    Collins P, Haire LF, Lin YP, Liu J, Russell RJ, Walker PA, Skehel JJ, Martin SR, Hay AJ, Gamblin SJ ( 2008) Crystal structures of oseltamivir-reisitant influenza virus neuraminidase mutants. Nature 453: 12581261.
  • 21
    Falconi M, Chillemi G, Marino DD, D'Annessa I, Rocca BMd, Palmieri L, Desideri A ( 2006) Structural dynamics of the mitochondrial ADP/ATP carrier revealed by molecular dynamics simulation studies. Proteins 65: 681691.
  • 22
    Lwin TZ, Durant JJ, Bashford D ( 2007) A fluid salt-bridging cluster and the stabilization of p53. J Mol Biol 373: 13341337.
  • 23
    Ozkirimli E, Yadav SS, Miller WT, Post CB ( 2008) An electrostatic network and long-range regulation of Src kinases. Protein Sci 17: 18711880.
  • 24
    Russell RJ, Haire LF, Stevens DJ, Collins PJ, Lin YP, Blackburn GM, Hay AJ, Gamblin SJ, Skehel JJ ( 2006) The structure of H5N1 avian influenza neuraminidase suggestes new opportunities for drug design. Nature 443: 4549.
  • 25
    Amaro RE, Minh DD, Cheng LS, Lindstrom WM Jr, Olson AJ, Lin JH, Li WW, McCammon JA ( 2007) Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design. J Am Chem Soc 129: 77647765.
  • 26
    Gohlke H, Kiel C, Case DA ( 2003) Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes. J Mol Biol 330: 891913.
  • 27
    Chen X ( 2006) Structural basis of neuraminidase inhibitors with broad spectrum activity against influenza. Trends Bio-Pharm Ind 1: 2731.
  • 28
    Kim CU, Lew W, Matthew AW, Liu H, Zhang L, Swaminathan S, Bischofberger N, Chen MS, Mendel DB, Tai CY, Laver WG, Stevens RC ( 1997) Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity. J Am Chem Soc 119: 681690.
  • 29
    Wang MZ, Tai CY, Mendel DB ( 2002) Mechanism by which mutations at His274 alter sensitivity of influenza A virus N1 neuraminidase to oseltamivir carboxylate and zanamivir. Antimicrob Agents Chemother 46: 38093816.
  • 30
    Case DA, Darden TA, Cheatham ITE, Simmerling CL, Wang J, Duke RE, Luo R, Merz KM, Wang B, Pearlman DA, Crowley M, Brozell S, Tsui V, Gohlke H, Mongan J, Hornak V, Cui G, Beroza P, Schafmeister C, Caldwell JW, Ross WS, Kollman PA ( 2004) AMBER8. La Jolla, CA: Scripps Research Institute.
  • 31
    Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM J, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA ( 1995) A second generation force field for the simulation of proteins, nucleic acids and organic molecules. J Am Chem Soc 117: 51795197.
  • 32
    Wang J, Wolf RM, Caldwell JW, Kollman PA, Case DA ( 2004). Development and testing of a general amber force field. J Comput Chem 25: 11571174.
  • 33
    Gohlke H, Case DA ( 2004) Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf. J Comput Chem 25: 238250.